(1-hexadecanoyloxy-3-oxidanyl-propan-2-yl) (9E,12Z)-octadeca-9,12-dienoate

Systemtic Name: (1-hexadecanoyloxy-3-oxidanyl-propan-2-yl) (9E,12Z)-octadeca-9,12-dienoate Openeye Name: [1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] (9E,12Z)-octadeca-9,12-dienoate CAS Name: (9E,12Z)-octadeca-9,12-dienoic acid [1-hydroxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: (1-hexadecanoyloxy-3-hydroxypropan-2-yl) (9E,12Z)-octadeca-9,12-dienoate Traditional Name: (9E,12Z)-octadeca-9,12-dienoic acid [1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C37H68O5 MolecularWeight: 592.93282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/C/C=C\CCCCC

InChI

InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38H,3-10,12,14-16,19-34H2,1-2H3/b13-11-,18-17+